Geometry & MOs

Info

ID:	305857
PubChem CID:	124971541
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	52.8
Dipole, Da:	3.9
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxy-2-methylphenyl)-1-[(2S)-2-[5-(pyrimidin-2-ylamino)pyridin-2-yl]morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN2CCCC[C@@H]2C3=NC=NC=C3

DOS

IR

Vibrations